| General Property |
| Molceule ID (DB) | EGIN0002443 |
| Inhibitor Class | Anilino-quinoline |
| Molecule Name in Refrence Article | 12 Compound |
| IUPAC Name | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-[(2-fluoroethyl)(methyl)amino]but-2-enamide |
| Formula | C25H24ClF2N5O2 |
| Mass | 499.94 |
| Exact Mass | 499.1586592 |
| Composition | C (60.06%), H (4.84%), Cl (7.09%), F (7.6%), N (14.01%), O (6.4%) |
| Atom Count | 59 |
| PI | 9.93 |
| Smiles | C(=O)(/C=C/CN(C)CCF)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl |
| InChI | 1S/C25H24ClF2N5O2/c1-3-35-23-13-21-18(12-22(23)32-24(34)5-4-9-33(2)10-8-27)25(16(14-29)15-30-21)31-1
7-6-7-20(28)19(26)11-17/h4-7,11-13,15H,3,8-10H2,1-2H3,(H,30,31)(H,32,34)/b5-4+ |
| InChIKey | ADJACMYOQMAGTE-SNAWJCMRSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 20797871 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
46937466
|
| Drug Bank Link | - |
| ChemSpider Link | 26351934 |
| ChEMBL Link | CHEMBL1243345 |
